2-methoxyethyl 2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-methoxyethyl 2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl 3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: 2-cyano-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: 3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COCCOC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N4O3/c1-28-10-11-29-22(27)19(13-23)12-20-16-26(15-17-6-3-2-4-7-17)25-21(20)18-8-5-9-24-14-18/h2-9,12,14,16H,10-11,15H2,1H3